include '/gpfs0/physp2/harrisdt/paw/64bit/BeS_4/atomdata/Be/LDA/Be.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/BeS_4/atomdata/S/LDA/S.atomicdata' AtomType_Occupancy Be Orbitals_Size 3 Valence_Orbitals 1 2 3 Valence_Occupancy 2 2 0 End AtomType_Occupancy S Orbitals_Size 4 Valence_Orbitals 1 2 3 4 Valence_Occupancy 2 2 6 4 End